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Published in 2021 at "Solid State Communications"
DOI: 10.1016/j.ssc.2021.114222
Abstract: Abstract Density functional theory based first-principles investigation on structural, elastic, ultrasonic and thermodynamic properties of cubic perovskite hydrides XLiH3 (X = Ba, Sr, Ca) at ambient and high pressures is reported in this study. The evaluated structural…
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Keywords:
first principles;
principles investigation;
pressure;
hydrostatic pressure ... See more keywords